SCHEMBL13391998

SCHEMBL13391998

COc1ccc2c(C)c(Cc3ccnc(N)c3)c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 8/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
STS P08842 1/20 0.53
MAP2K1 Q02750 3/20 0.52
RAF1 P04049 1/20 0.52
NQO1 P15559 1/20 0.51
ALDH1A2 O94788 1/20 0.51
ALDH1B1 P30837 1/20 0.51
ALDH1A3 P47895 1/20 0.51
GAA P10253 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL960504 0.90 MAP2K1 (0.65) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL959681 0.85 MAP2K1 (0.73) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL959705 0.84 HSD17B3 (0.65) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL15917454 0.80 ALDH1A1 (0.74) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL961450 0.79 NQO1 (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL14317937 0.79 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL14048846 0.77 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL964530 0.77 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL961165 0.77 TP53 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL31980592 0.77 MAP2K1 (0.70) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed